* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     89    136     262
    1     0 S   NP   _N1_     1    28.88094    95.61472   -24.41979
    2     1 S   H    _HN1     2     1.02796   114.93969  -100.15884
    3     1 S   H    _H1_     3     1.02946    75.51591     3.67189
    4     1 S   H    _H2_     4     1.02826    31.84897   175.96585
    5     1 S   CT   _CA1     5     1.50133   127.32081   108.51434
    6     5 S   HC   _HA1     6     1.09574   105.14872    90.67080
    7     5 S   CO3  _C1_     7     1.53762   112.47364   -29.52296
    8     7 S   O2Z  _O11     8     1.26379   114.99833   -42.11632
    9     7 S   O2Z  _O12     9     1.26234   114.94143   136.85802
   10     5 S   CT   _CB1    10     1.53053   107.40106  -151.35858
   11    10 S   HC   HB11    11     1.09844   109.31431   -49.19269
   12    10 S   HC   HB12    12     1.09810   110.48269    67.39692
   13    10 S   CT   _CG1    13     1.53029   112.65655  -170.11493
   14    13 S   HC   HG11    14     1.09567   110.76850   -67.97382
   15    13 S   HC   HG12    15     1.09669   109.67574    51.28084
   16    13 S   C    _CD1    16     1.51815   111.90220   171.77997
   17    16 S   O    _OE1    17     1.22761   123.15376    14.13691
   18    16 S   N    _N2_    18     1.38622   111.88443  -165.88738
   19    18 S   H    _HN2    19     1.01583   118.99093     0.78833
   20    18 S   CT1  _CA2    20     1.46264   123.40960   176.39652
   21    20 S   HC   _HA2    21     1.09734   109.29724     8.27837
   22    20 S   C    _C2_    22     1.53686   108.83660  -107.26989
   23    22 S   O    _O2_    23     1.23080   122.25661  -148.84532
   24    20 S   CT   _CB2    32     1.53244   111.50913   130.30835
   25    24 S   HC   HB21    33     1.09630   109.97868    57.00100
   26    24 S   HC   HB22    34     1.09550   110.35272   175.48152
   27    22 S   N    _N3_    24     1.38313   113.88920    38.64555
   28    27 S   H    _HN3    25     1.01536   119.62629    -3.07625
   29    24 S   S    _SG2    35     1.82659   111.47366   -64.49338
   30    27 S   CT   _CA3    26     1.45282   123.31390   177.28848
   31    30 S   HC   HA31    27     1.09546   107.50310   -65.25133
   32    30 S   HC   HA32    28     1.09554   108.01619    51.22028
   33    29 S   CM   _C7_    36     1.75931    99.48525   168.87735
   34    30 S   CO3  _C3_    29     1.52983   114.01743   173.23607
   35    34 S   O2Z  _O31    30     1.26388   116.07562    -0.18131
   36    34 S   O2Z  _O32    31     1.26422   114.42017   179.87333
   37    33 S   CM   _C4_    37     1.35097   118.20891    74.96492
   38    37 S   HC   _H14    38     1.08708   120.52395    -1.21772
   39    37 S   CM   _C6_    39     1.44808   122.49613   177.92670
   40    39 S   CM   _C5_    40     1.34191   120.66183    13.08094
   41    40 S   HC   _H15    41     1.08615   120.99894   177.65782
   42    39 S   CO3  _C8_    49     1.54287   118.17051  -168.72268
   43    42 S   O2Z  _O8_    50     1.26627   115.85937  -157.50510
   44    42 S   O2Z  _O10    51     1.26590   115.94700    22.46946
   45    40 S   CT   _C9_    42     1.50713   121.47891    -0.28531
   46    45 S   HC   _H16    43     1.09890   105.25928    97.76042
   47    33 S   CT   _C10    44     1.53478   120.90576  -107.08067
   48    47 S   OM   _O9_    45     1.32254   108.52765   -77.75130
   49    47 S   Cl   CL13    46     1.80298   112.14303    39.65968
   50    45 S   OH   _O33    47     1.43189   108.42746  -149.39416
   51    50 S   HO   _H17    48     0.97451   105.85342    98.00066
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  11   2   1   1  11   4   9  11   5   3   1   1   6   5   4   2
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    47    48    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    47    48    49    50    42  
   35    36  
   36  
    0  
   38    39    40    41    45    47    48    49    42    43    44  
   39    40    47    42  
   40    41    45    46    47    50    42    43    44  
   41    45    46    47    48    49    50    51    42    43    44  
   45    46    47    50    42  
   43    44    45  
   44  
    0  
   46    47    48    49    50    51  
   47    48    49    50    51  
   48    49    50    51  
   49    50  
   50  
   51  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   4.2000   0.3000   0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    47   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   549.000  1.340
   39    42   230.000  1.545
   40    41   340.000  1.080
   40    45   317.000  1.510
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   320.000  1.410
   47    48   570.000  1.307
   47    49   245.000  1.781
   50    51   553.000  0.945
   42    43   656.000  1.250
   42    44   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    47    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    47    45    70.00000  112.02700
   33    47    48    85.00000  110.90400
   33    47    49    75.00000  111.90500
   37    39    40    70.00000  123.01800
   37    39    42    55.00000  124.75400
   39    37    38    35.00000  120.00000
   39    40    41    35.00000  120.00000
   39    40    45    70.00000  124.00000
   39    42    43    85.00000  113.83300
   39    42    44    85.00000  113.83300
   40    45    46    35.00000  109.50000
   40    45    47    70.00000  112.02700
   40    45    50    90.00000  110.39200
   45    40    41    35.00000  117.00000
   45    47    48    50.00000  109.50000
   45    47    49    69.00000  109.80000
   45    50    51    55.00000  108.50000
   47    33    37    70.00000  124.00000
   47    45    46    37.50000  110.70000
   49    47    48    95.00000  108.90000
   50    45    46    35.00000  109.50000
   50    45    47    50.00000  109.50000
   42    39    40    55.00000  124.75400
   44    42    43    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    47   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    47    45   0.09700  1.0 1.0
   29    33    47    45   0.15600 -1.0 2.0
   29    33    47    45  -0.50800  1.0 3.0
   29    33    47    48   0.09700  1.0 1.0
   29    33    47    48   0.15600 -1.0 2.0
   29    33    47    48  -0.50800  1.0 3.0
   29    33    47    49   0.09700  1.0 1.0
   29    33    47    49   0.15600 -1.0 2.0
   29    33    47    49  -0.50800  1.0 3.0
   33    37    39    40   0.28850  1.0 1.0
   33    37    39    40   2.61350 -1.0 2.0
   33    37    39    40   0.78400  1.0 3.0
   33    37    39    42  -0.18600  1.0 3.0
   37    33    47    45   0.09850  1.0 1.0
   37    33    47    45   0.15250 -1.0 2.0
   37    33    47    45  -0.50650  1.0 3.0
   37    33    47    48   0.39000  1.0 1.0
   37    33    47    48  -0.05800 -1.0 2.0
   37    33    47    48  -0.55150  1.0 3.0
   37    33    47    49   0.09700  1.0 1.0
   37    33    47    49   0.15600 -1.0 2.0
   37    33    47    49  -0.50800  1.0 3.0
   37    39    40    41   7.00000 -1.0 2.0
   37    39   -40    45   7.00000 -1.0 2.0
   37    39    42    43  -0.04000 -1.0 2.0
   37    39    42    43  -0.29050  1.0 3.0
   37    39    42    44  -0.04000 -1.0 2.0
   37    39    42    44  -0.29050  1.0 3.0
   38    37    39    40  -0.18600  1.0 3.0
   38    37    39    42   0.00000  1.0 1.0
   39    40    45    46   0.00000  1.0 1.0
   39    40    45    47   0.09850  1.0 1.0
   39    40    45    47   0.15250 -1.0 2.0
   39    40    45    47  -0.50650  1.0 3.0
   39    40    45    50   0.67800  1.0 1.0
   39    40    45    50   0.47050 -1.0 2.0
   39    40    45    50  -0.62500  1.0 3.0
   40    39    42    43  -0.04000 -1.0 2.0
   40    39    42    43  -0.29050  1.0 3.0
   40    39    42    44  -0.04000 -1.0 2.0
   40    39    42    44  -0.29050  1.0 3.0
   40    45   -47    33   0.31000  1.0 1.0
   40    45   -47    33   0.14700 -1.0 2.0
   40    45   -47    33   0.07550  1.0 3.0
   40    45    47    48   0.61850  1.0 1.0
   40    45    47    48  -0.22750 -1.0 2.0
   40    45    47    48   0.15300  1.0 3.0
   40    45    47    49   0.56750  1.0 1.0
   40    45    47    49  -0.07550 -1.0 2.0
   40    45    47    49   0.20000  1.0 3.0
   40    45    50    51  -0.07800  1.0 1.0
   40    45    50    51  -0.21500 -1.0 2.0
   40    45    50    51  -0.03150  1.0 3.0
   41    40    45    46   0.33100  1.0 3.0
   41    40    45    47   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   46    45    47    33   0.15000  1.0 3.0
   46    45    47    48   0.23400  1.0 3.0
   46    45    47    49   0.27000  1.0 3.0
   46    45    50    51   0.19450  1.0 3.0
   47    33    37    38   7.00000 -1.0 2.0
   47    33   -37    39   7.00000 -1.0 2.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   50    45    47    33   1.05650  1.0 1.0
   50    45    47    33   0.15600 -1.0 2.0
   50    45    47    33   0.53150  1.0 3.0
   50    45    47    48   3.69350  1.0 1.0
   50    45    47    48  -1.82950 -1.0 2.0
   50    45    47    49   0.56750  1.0 1.0
   50    45    47    49  -0.07550 -1.0 2.0
   50    45    47    49   0.20000  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   29    47    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    42    39    40   1.10000 -1.0 2.0
   45    41    40    39   1.10000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
END
